[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CN4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CN4

InChI

InChI=1S/C21H16N4O3/c26-18(17-12-7-13-22-17)14-28-21(27)19-23-20(15-8-3-1-4-9-15)25(24-19)16-10-5-2-6-11-16/h1-13,22H,14H2